methyl (2S)-3-methyl-2-[[1-[4-(phenylsulfonylamino)phenyl]piperidin-4-yl]amino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[[1-[4-(phenylsulfonylamino)phenyl]piperidin-4-yl]amino]butanoate Openeye Name: methyl (2S)-2-[[1-[4-(benzenesulfonamido)phenyl]-4-piperidyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[1-[4-(benzenesulfonamido)phenyl]-4-piperidinyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-[4-(benzenesulfonamido)phenyl]piperidin-4-yl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[1-[4-(benzenesulfonamido)phenyl]-4-piperidyl]amino]-3-methyl-butyric acid methyl ester Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3O4S/c1-17(2)22(23(27)30-3)24-18-13-15-26(16-14-18)20-11-9-19(10-12-20)25-31(28,29)21-7-5-4-6-8-21/h4-12,17-18,22,24-25H,13-16H2,1-3H3/t22-/m0/s1