N-[4-(1,4-diazepan-1-yl)-2-[methyl(methylsulfonyl)amino]phenyl]-5-pyridin-2-yl-thiophene-2-sulfonamide hydrochloride

Systemtic Name: N-[4-(1,4-diazepan-1-yl)-2-[methyl(methylsulfonyl)amino]phenyl]-5-pyridin-2-yl-thiophene-2-sulfonamide hydrochloride Openeye Name: N-[4-(1,4-diazepan-1-yl)-2-[methyl(methylsulfonyl)amino]phenyl]-5-(2-pyridyl)thiophene-2-sulfonamide hydrochloride CAS Name: N-[4-(1,4-diazepan-1-yl)-2-[methyl(methylsulfonyl)amino]phenyl]-5-(2-pyridinyl)-2-thiophenesulfonamide hydrochloride IUPAC Name: N-[4-(1,4-diazepan-1-yl)-2-[methyl(methylsulfonyl)amino]phenyl]-5-pyridin-2-ylthiophene-2-sulfonamide hydrochloride Traditional Name: N-[4-(1,4-diazepan-1-yl)-2-[mesyl(methyl)amino]phenyl]-5-(2-pyridyl)thiophene-2-sulfonamide hydrochloride Formula: C22H28ClN5O4S3 MolecularWeight: 558.13682

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=CC(=C1)N2CCCNCC2)NS(=O)(=O)C3=CC=C(S3)C4=CC=CC=N4)S(=O)(=O)C.Cl

Isomeric SMILES

CN(C1=C(C=CC(=C1)N2CCCNCC2)NS(=O)(=O)C3=CC=C(S3)C4=CC=CC=N4)S(=O)(=O)C.Cl

InChI

InChI=1S/C22H27N5O4S3.ClH/c1-26(33(2,28)29)20-16-17(27-14-5-11-23-13-15-27)7-8-18(20)25-34(30,31)22-10-9-21(32-22)19-6-3-4-12-24-19;/h3-4,6-10,12,16,23,25H,5,11,13-15H2,1-2H3;1H