N-[(4-methoxyphenyl)methyl]-3-[(phenylmethyl)amino]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-3-[(phenylmethyl)amino]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 3-(benzylamino)-N-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(4-methoxyphenyl)methyl]-3-[(phenylmethyl)amino]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 3-(benzylamino)-N-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 3-(benzylamino)-N-p-anisyl-5-pyrrolidinosulfonyl-benzamide Formula: C26H29N3O4S MolecularWeight: 479.59116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2=CC(=CC(=C2)S(=O)(=O)N3CCCC3)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2=CC(=CC(=C2)S(=O)(=O)N3CCCC3)NCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4S/c1-33-24-11-9-21(10-12-24)19-28-26(30)22-15-23(27-18-20-7-3-2-4-8-20)17-25(16-22)34(31,32)29-13-5-6-14-29/h2-4,7-12,15-17,27H,5-6,13-14,18-19H2,1H3,(H,28,30)