2-[methylsulfonyl-(phenylmethyl)amino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]ethanamide

Systemtic Name: 2-[methylsulfonyl-(phenylmethyl)amino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]ethanamide Openeye Name: 2-[benzyl(methylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide CAS Name: 2-[methylsulfonyl-(phenylmethyl)amino]-N-[[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]acetamide IUPAC Name: 2-[benzyl(methylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide Traditional Name: 2-[benzyl(mesyl)amino]-N-(4-pyrrolidinosulfonylbenzyl)acetamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=CC=C1)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=CC=C1)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H27N3O5S2/c1-30(26,27)24(16-19-7-3-2-4-8-19)17-21(25)22-15-18-9-11-20(12-10-18)31(28,29)23-13-5-6-14-23/h2-4,7-12H,5-6,13-17H2,1H3,(H,22,25)