N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-4-pyrrolidinosulfonyl-benzamide Formula: C27H28N4O3S2 MolecularWeight: 520.66622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C27H28N4O3S2/c1-19(2)23-9-7-10-24-25(23)29-27(35-24)31(18-21-8-3-4-15-28-21)26(32)20-11-13-22(14-12-20)36(33,34)30-16-5-6-17-30/h3-4,7-15,19H,5-6,16-18H2,1-2H3