4-(azepan-1-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-N-(phenylmethyl)benzenesulfonamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-benzyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide CAS Name: 4-(1-azepanylsulfonyl)-N-[(4-methoxyphenyl)methyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-benzyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-benzyl-N-p-anisyl-benzenesulfonamide Formula: C27H32N2O5S2 MolecularWeight: 528.68338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C27H32N2O5S2/c1-34-25-13-11-24(12-14-25)22-29(21-23-9-5-4-6-10-23)36(32,33)27-17-15-26(16-18-27)35(30,31)28-19-7-2-3-8-20-28/h4-6,9-18H,2-3,7-8,19-22H2,1H3