N-[3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-3-oxidanylidene-propyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-3-oxidanylidene-propyl]-2,2-dimethyl-propanamide Openeye Name: N-[3-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-3-oxo-propyl]-2,2-dimethyl-propanamide CAS Name: N-[3-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-3-oxopropyl]-2,2-dimethylpropanamide IUPAC Name: N-[3-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-3-oxopropyl]-2,2-dimethylpropanamide Traditional Name: N-[3-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-3-keto-propyl]-2,2-dimethyl-propionamide Formula: C21H33N3O5S MolecularWeight: 439.56882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NCCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

Isomeric SMILES

CC(C)(C)C(=O)NCCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

InChI

InChI=1S/C21H33N3O5S/c1-21(2,3)20(26)22-12-11-19(25)23-17-15-16(9-10-18(17)29-4)30(27,28)24-13-7-5-6-8-14-24/h9-10,15H,5-8,11-14H2,1-4H3,(H,22,26)(H,23,25)