N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-mesyl-isonipecotamide Formula: C20H31N3O5S2 MolecularWeight: 457.60724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H31N3O5S2/c1-16-7-8-18(15-19(16)30(27,28)23-11-5-3-4-6-12-23)21-20(24)17-9-13-22(14-10-17)29(2,25)26/h7-8,15,17H,3-6,9-14H2,1-2H3,(H,21,24)