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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)phenyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)phenyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)phenyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)phenyl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)phenyl]benzamide Formula: C28H29N3O3S2 MolecularWeight: 519.67816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5)C

InChI

InChI=1S/C28H29N3O3S2/c1-19-17-20(2)26-25(18-19)35-28(30-26)22-7-11-23(12-8-22)29-27(32)21-9-13-24(14-10-21)36(33,34)31-15-5-3-4-6-16-31/h7-14,17-18H,3-6,15-16H2,1-2H3,(H,29,32)