N-[(2S,3R)-1-(cyclopropylamino)-3-methyl-1-oxidanylidene-pentan-2-yl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S,3R)-1-(cyclopropylamino)-3-methyl-1-oxidanylidene-pentan-2-yl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S,2R)-1-(cyclopropylcarbamoyl)-2-methyl-butyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2S,3R)-1-(cyclopropylamino)-3-methyl-1-oxopentan-2-yl]-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S,3R)-1-(cyclopropylamino)-3-methyl-1-oxopentan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S,2R)-1-(cyclopropylcarbamoyl)-2-methyl-butyl]-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)NC1CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H33N3O5S/c1-4-15(2)20(22(27)23-17-5-6-17)24-21(26)16-11-13-25(14-12-16)31(28,29)19-9-7-18(30-3)8-10-19/h7-10,15-17,20H,4-6,11-14H2,1-3H3,(H,23,27)(H,24,26)/t15-,20+/m1/s1