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

Systemtic Name: N-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-N-methyl-thiophene-2-sulfonamide Openeye Name: N-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-ethyl]-N-methyl-thiophene-2-sulfonamide CAS Name: N-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-methyl-2-thiophenesulfonamide IUPAC Name: N-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide Traditional Name: N-[2-keto-2-(4-p-anisyl-1,4-diazepan-1-yl)ethyl]-N-methyl-thiophene-2-sulfonamide Formula: C20H27N3O4S2 MolecularWeight: 437.57608

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCCN(CC1)CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CN(CC(=O)N1CCCN(CC1)CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H27N3O4S2/c1-21(29(25,26)20-5-3-14-28-20)16-19(24)23-11-4-10-22(12-13-23)15-17-6-8-18(27-2)9-7-17/h3,5-9,14H,4,10-13,15-16H2,1-2H3