N-tert-butyl-2-[4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonyl-1,4-diazepan-1-yl]ethanamide hydrochloride

Systemtic Name: N-tert-butyl-2-[4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonyl-1,4-diazepan-1-yl]ethanamide hydrochloride Openeye Name: N-tert-butyl-2-[4-[1-(2-thienylsulfonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide hydrochloride CAS Name: N-tert-butyl-2-[4-[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]-1,4-diazepan-1-yl]acetamide hydrochloride IUPAC Name: N-tert-butyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide hydrochloride Traditional Name: N-tert-butyl-2-[4-[1-(2-thienylsulfonyl)isonipecotoyl]-1,4-diazepan-1-yl]acetamide hydrochloride Formula: C21H35ClN4O4S2 MolecularWeight: 507.11

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3.Cl

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3.Cl

InChI

InChI=1S/C21H34N4O4S2.ClH/c1-21(2,3)22-18(26)16-23-9-5-10-24(14-13-23)20(27)17-7-11-25(12-8-17)31(28,29)19-6-4-15-30-19;/h4,6,15,17H,5,7-14,16H2,1-3H3,(H,22,26);1H