methyl (2S)-2-[[1-[4-(dimethylsulfamoylamino)phenyl]piperidin-4-yl]amino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[[1-[4-(dimethylsulfamoylamino)phenyl]piperidin-4-yl]amino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[1-[4-(dimethylsulfamoylamino)phenyl]-4-piperidyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[1-[4-(dimethylsulfamoylamino)phenyl]-4-piperidinyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-[4-(dimethylsulfamoylamino)phenyl]piperidin-4-yl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[1-[4-(dimethylsulfamoylamino)phenyl]-4-piperidyl]amino]-2-phenyl-acetic acid methyl ester Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)NC1=CC=C(C=C1)N2CCC(CC2)NC(C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CN(C)S(=O)(=O)NC1=CC=C(C=C1)N2CCC(CC2)N[C@@H](C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H30N4O4S/c1-25(2)31(28,29)24-19-9-11-20(12-10-19)26-15-13-18(14-16-26)23-21(22(27)30-3)17-7-5-4-6-8-17/h4-12,18,21,23-24H,13-16H2,1-3H3/t21-/m0/s1