N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(p-tolylsulfonylamino)-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-ylbenzamide Traditional Name: N-homoveratryl-4-pyrrolidino-3-(tosylamino)benzamide Formula: C28H33N3O5S MolecularWeight: 523.64372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)N4CCCC4

InChI

InChI=1S/C28H33N3O5S/c1-20-6-10-23(11-7-20)37(33,34)30-24-19-22(9-12-25(24)31-16-4-5-17-31)28(32)29-15-14-21-8-13-26(35-2)27(18-21)36-3/h6-13,18-19,30H,4-5,14-17H2,1-3H3,(H,29,32)