N-[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-[(3,4-dimethoxyphenyl)methylcarbamoyl]-2-methyl-propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-2-methyl-1-(veratrylcarbamoyl)propyl]-1-tosyl-isonipecotamide Formula: C27H37N3O6S MolecularWeight: 531.66418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](C(C)C)C(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H37N3O6S/c1-18(2)25(27(32)28-17-20-8-11-23(35-4)24(16-20)36-5)29-26(31)21-12-14-30(15-13-21)37(33,34)22-9-6-19(3)7-10-22/h6-11,16,18,21,25H,12-15,17H2,1-5H3,(H,28,32)(H,29,31)/t25-/m0/s1