4-(azepan-1-ylsulfonyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)benzamide Formula: C28H30N4O3S2 MolecularWeight: 534.6928

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C28H30N4O3S2/c1-2-21-10-9-12-25-26(21)30-28(36-25)32(20-23-11-5-6-17-29-23)27(33)22-13-15-24(16-14-22)37(34,35)31-18-7-3-4-8-19-31/h5-6,9-17H,2-4,7-8,18-20H2,1H3