(2S)-2-[(4-chlorophenyl)methyl-methyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2S)-2-[(4-chlorophenyl)methyl-methyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2S)-2-[(4-chlorophenyl)methyl-methyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2S)-2-[(4-chlorophenyl)methyl-methylamino]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-[(4-chlorophenyl)methyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-[(4-chlorobenzyl)-methyl-amino]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)N(C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)N(C)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3O3S/c1-16(24(2)15-17-5-7-18(22)8-6-17)21(26)23-19-9-11-20(12-10-19)29(27,28)25-13-3-4-14-25/h5-12,16H,3-4,13-15H2,1-2H3,(H,23,26)/t16-/m0/s1