N-methyl-N-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]thiophene-2-sulfonamide

Systemtic Name: N-methyl-N-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]thiophene-2-sulfonamide Openeye Name: N-methyl-N-[2-oxo-2-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]ethyl]thiophene-2-sulfonamide CAS Name: N-methyl-N-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-2-thiophenesulfonamide IUPAC Name: N-methyl-N-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]thiophene-2-sulfonamide Traditional Name: N-[2-keto-2-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]ethyl]-N-methyl-thiophene-2-sulfonamide Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CN(C)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CN(C)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H27N3O3S2/c1-17-6-8-18(9-7-17)15-22-10-4-11-23(13-12-22)19(24)16-21(2)28(25,26)20-5-3-14-27-20/h3,5-9,14H,4,10-13,15-16H2,1-2H3