N-(1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrazol-1-ylethyl)benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrazol-1-ylethyl)benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrazol-1-ylethyl)benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(1-pyrazolyl)ethyl]benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrazol-1-ylethyl)benzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrazol-1-ylethyl)benzamide Formula: C28H25N5O3S2 MolecularWeight: 543.6598

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)C(=O)N(CCN4C=CC=N4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)C(=O)N(CCN4C=CC=N4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C28H25N5O3S2/c34-27(32(20-19-31-17-6-16-29-31)28-30-24-9-2-4-11-26(24)37-28)22-12-14-23(15-13-22)38(35,36)33-18-5-8-21-7-1-3-10-25(21)33/h1-4,6-7,9-17H,5,8,18-20H2