(2S)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[methyl-(phenylmethyl)amino]propanamide

Systemtic Name: (2S)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[methyl-(phenylmethyl)amino]propanamide Openeye Name: (2S)-2-[benzyl(methyl)amino]-N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: (2S)-N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-[methyl-(phenylmethyl)amino]propanamide IUPAC Name: (2S)-2-[benzyl(methyl)amino]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-[benzyl(methyl)amino]-N-(2-chloro-5-piperidinosulfonyl-phenyl)propionamide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)N(C)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C22H28ClN3O3S/c1-17(25(2)16-18-9-5-3-6-10-18)22(27)24-21-15-19(11-12-20(21)23)30(28,29)26-13-7-4-8-14-26/h3,5-6,9-12,15,17H,4,7-8,13-14,16H2,1-2H3,(H,24,27)/t17-/m0/s1