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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide Formula: C26H25N3O3S2 MolecularWeight: 491.625

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H25N3O3S2/c30-25(19-13-15-20(16-14-19)34(31,32)29-17-7-1-2-8-18-29)27-22-10-4-3-9-21(22)26-28-23-11-5-6-12-24(23)33-26/h3-6,9-16H,1-2,7-8,17-18H2,(H,27,30)