(2S)-2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-N-phenyl-propanamide

Systemtic Name: (2S)-2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-N-phenyl-propanamide Openeye Name: (2S)-2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-N-phenyl-propanamide CAS Name: (2S)-2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-N-phenylpropanamide IUPAC Name: (2S)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-N-phenylpropanamide Traditional Name: (2S)-2-(4-methyl-3-piperidinosulfonyl-anilino)-N-phenyl-propionamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(C)C(=O)NC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@@H](C)C(=O)NC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H27N3O3S/c1-16-11-12-19(15-20(16)28(26,27)24-13-7-4-8-14-24)22-17(2)21(25)23-18-9-5-3-6-10-18/h3,5-6,9-12,15,17,22H,4,7-8,13-14H2,1-2H3,(H,23,25)/t17-/m0/s1