N-tert-butyl-2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide hydrochloride

Systemtic Name: N-tert-butyl-2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide hydrochloride Openeye Name: N-tert-butyl-2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide hydrochloride CAS Name: N-tert-butyl-2-[4-[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonyl-1,4-diazepan-1-yl]acetamide hydrochloride IUPAC Name: N-tert-butyl-2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide hydrochloride Traditional Name: N-tert-butyl-2-[4-(4-pyrrolidinosulfonylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide hydrochloride Formula: C21H35ClN4O5S2 MolecularWeight: 523.1094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3.Cl

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3.Cl

InChI

InChI=1S/C21H34N4O5S2.ClH/c1-21(2,3)22-20(26)17-23-11-6-14-25(16-15-23)32(29,30)19-9-7-18(8-10-19)31(27,28)24-12-4-5-13-24;/h7-10H,4-6,11-17H2,1-3H3,(H,22,26);1H