(3R)-N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3R)-N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3R)-N-[2-(cyclopropylamino)-2-oxo-ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3R)-N-[2-(cyclopropylamino)-2-keto-ethyl]-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC(=O)NC3CC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NCC(=O)NC3CC3

InChI

InChI=1S/C18H25N3O5S/c1-26-15-6-8-16(9-7-15)27(24,25)21-10-2-3-13(12-21)18(23)19-11-17(22)20-14-4-5-14/h6-9,13-14H,2-5,10-12H2,1H3,(H,19,23)(H,20,22)/t13-/m1/s1