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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[2-(1-pyrazolyl)ethyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide Formula: C26H29N5O4S2 MolecularWeight: 539.66956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N(CCN3C=CC=N3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N(CCN3C=CC=N3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C26H29N5O4S2/c1-35-21-9-12-23-24(19-21)36-26(28-23)31(18-17-29-14-6-13-27-29)25(32)20-7-10-22(11-8-20)37(33,34)30-15-4-2-3-5-16-30/h6-14,19H,2-5,15-18H2,1H3