4-(azepan-1-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-(1-pyrazolyl)ethyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide Formula: C27H31N5O3S2 MolecularWeight: 537.69674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CCN3C=CC=N3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CCN3C=CC=N3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5)C

InChI

InChI=1S/C27H31N5O3S2/c1-20-18-21(2)25-24(19-20)36-27(29-25)32(17-16-30-13-7-12-28-30)26(33)22-8-10-23(11-9-22)37(34,35)31-14-5-3-4-6-15-31/h7-13,18-19H,3-6,14-17H2,1-2H3