(3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C26H25N3O5S/c1-33-21-12-14-22(15-13-21)35(31,32)29-16-4-5-19(17-29)25(30)27-20-10-8-18(9-11-20)26-28-23-6-2-3-7-24(23)34-26/h2-3,6-15,19H,4-5,16-17H2,1H3,(H,27,30)/t19-/m0/s1