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

Systemtic Name: N-methyl-N-[4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxidanylidene-butyl]thiophene-2-sulfonamide Openeye Name: N-methyl-N-[4-oxo-4-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]butyl]thiophene-2-sulfonamide CAS Name: N-methyl-N-[4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutyl]-2-thiophenesulfonamide IUPAC Name: N-methyl-N-[4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutyl]thiophene-2-sulfonamide Traditional Name: N-[4-keto-4-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]butyl]-N-methyl-thiophene-2-sulfonamide Formula: C22H31N3O3S2 MolecularWeight: 449.62984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3S2/c1-19-8-10-20(11-9-19)18-24-13-5-14-25(16-15-24)21(26)6-3-12-23(2)30(27,28)22-7-4-17-29-22/h4,7-11,17H,3,5-6,12-16,18H2,1-2H3