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

Systemtic Name: N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-[(2-methoxyphenyl)methylcarbamoyl]-2-methyl-propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-methyl-1-(o-anisylcarbamoyl)propyl]-1-tosyl-isonipecotamide Formula: C26H35N3O5S MolecularWeight: 501.6382

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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=CC=C3OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NCC3=CC=CC=C3OC

InChI

InChI=1S/C26H35N3O5S/c1-18(2)24(26(31)27-17-21-7-5-6-8-23(21)34-4)28-25(30)20-13-15-29(16-14-20)35(32,33)22-11-9-19(3)10-12-22/h5-12,18,20,24H,13-17H2,1-4H3,(H,27,31)(H,28,30)