N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-1-mesyl-isonipecotamide Formula: C19H31N3O3S2 MolecularWeight: 413.59774

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C19H31N3O3S2/c1-27(24,25)22-11-6-16(7-12-22)19(23)20-14-18(17-8-13-26-15-17)21-9-4-2-3-5-10-21/h8,13,15-16,18H,2-7,9-12,14H2,1H3,(H,20,23)