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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-[2-(1-pyrazolyl)ethyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide Formula: C25H27N5O3S2 MolecularWeight: 509.64358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCN3C=CC=N3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCN3C=CC=N3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H27N5O3S2/c31-24(20-10-12-21(13-11-20)35(32,33)29-16-5-1-2-6-17-29)30(19-18-28-15-7-14-26-28)25-27-22-8-3-4-9-23(22)34-25/h3-4,7-15H,1-2,5-6,16-19H2