N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-methylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-methylsulfonyl-piperidine-2-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-methylsulfonyl-piperidine-2-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-1-methylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-methylsulfonylpiperidine-2-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-mesyl-pipecolinamide Formula: C20H31N3O5S2 MolecularWeight: 457.60724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCCCN2S(=O)(=O)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCCCN2S(=O)(=O)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H31N3O5S2/c1-16-10-11-17(15-19(16)30(27,28)22-12-6-3-4-7-13-22)21-20(24)18-9-5-8-14-23(18)29(2,25)26/h10-11,15,18H,3-9,12-14H2,1-2H3,(H,21,24)