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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C27H28N4O3S2/c1-19(2)23-8-5-9-24-25(23)29-27(35-24)31(18-20-7-6-14-28-17-20)26(32)21-10-12-22(13-11-21)36(33,34)30-15-3-4-16-30/h5-14,17,19H,3-4,15-16,18H2,1-2H3