3-[[1-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-5-(2-methoxyphenyl)-2-oxidanylidene-7-phenyl-azepan-3-yl]carbamoylamino]-N-methylsulfonyl-benzamide

Systemtic Name: 3-[[1-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-5-(2-methoxyphenyl)-2-oxidanylidene-7-phenyl-azepan-3-yl]carbamoylamino]-N-methylsulfonyl-benzamide Openeye Name: 3-[[1-[2-(tert-butylamino)-2-oxo-ethyl]-5-(2-methoxyphenyl)-2-oxo-7-phenyl-azepan-3-yl]carbamoylamino]-N-methylsulfonyl-benzamide CAS Name: 3-[[[[1-[2-(tert-butylamino)-2-oxoethyl]-5-(2-methoxyphenyl)-2-oxo-7-phenyl-3-azepanyl]amino]-oxomethyl]amino]-N-methylsulfonylbenzamide IUPAC Name: 3-[[1-[2-(tert-butylamino)-2-oxoethyl]-5-(2-methoxyphenyl)-2-oxo-7-phenylazepan-3-yl]carbamoylamino]-N-methylsulfonylbenzamide Traditional Name: 3-[[1-[2-(tert-butylamino)-2-keto-ethyl]-2-keto-5-(2-methoxyphenyl)-7-phenyl-azepan-3-yl]carbamoylamino]-N-mesyl-benzamide Formula: C34H41N5O7S MolecularWeight: 663.78364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1C(CC(CC(C1=O)NC(=O)NC2=CC=CC(=C2)C(=O)NS(=O)(=O)C)C3=CC=CC=C3OC)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)NC(=O)CN1C(CC(CC(C1=O)NC(=O)NC2=CC=CC(=C2)C(=O)NS(=O)(=O)C)C3=CC=CC=C3OC)C4=CC=CC=C4

InChI

InChI=1S/C34H41N5O7S/c1-34(2,3)37-30(40)21-39-28(22-12-7-6-8-13-22)20-24(26-16-9-10-17-29(26)46-4)19-27(32(39)42)36-33(43)35-25-15-11-14-23(18-25)31(41)38-47(5,44)45/h6-18,24,27-28H,19-21H2,1-5H3,(H,37,40)(H,38,41)(H2,35,36,43)