2-[2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]ethanoylamino]-N-propan-2-yl-benzamide

Systemtic Name: 2-[2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]ethanoylamino]-N-propan-2-yl-benzamide Openeye Name: 2-[[2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]acetyl]amino]-N-isopropyl-benzamide CAS Name: 2-[[2-[4-(1-adamantyl)-N-methylsulfonylanilino]-1-oxoethyl]amino]-N-propan-2-ylbenzamide IUPAC Name: 2-[[2-[4-(1-adamantyl)-N-methylsulfonylanilino]acetyl]amino]-N-propan-2-ylbenzamide Traditional Name: 2-[[2-[4-(1-adamantyl)-N-mesyl-anilino]acetyl]amino]-N-isopropyl-benzamide Formula: C29H37N3O4S MolecularWeight: 523.68678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

Isomeric SMILES

CC(C)NC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

InChI

InChI=1S/C29H37N3O4S/c1-19(2)30-28(34)25-6-4-5-7-26(25)31-27(33)18-32(37(3,35)36)24-10-8-23(9-11-24)29-15-20-12-21(16-29)14-22(13-20)17-29/h4-11,19-22H,12-18H2,1-3H3,(H,30,34)(H,31,33)