4-(azepan-1-ylsulfonyl)-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]benzamide Formula: C26H29N5O3S2 MolecularWeight: 523.67016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5)C

InChI

InChI=1S/C26H29N5O3S2/c1-17-14-18(2)24-22(15-17)35-26(28-24)31-23(16-19(3)29-31)27-25(32)20-8-10-21(11-9-20)36(33,34)30-12-6-4-5-7-13-30/h8-11,14-16H,4-7,12-13H2,1-3H3,(H,27,32)