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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-mesyl-nipecotamide Formula: C19H29N3O5S2 MolecularWeight: 443.58066

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H29N3O5S2/c1-28(24,25)22-14-6-7-16(15-22)19(23)20-17-8-10-18(11-9-17)29(26,27)21-12-4-2-3-5-13-21/h8-11,16H,2-7,12-15H2,1H3,(H,20,23)