N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-4-pyrrolidinosulfonyl-benzamide Formula: C26H26N4O3S2 MolecularWeight: 506.63964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C26H26N4O3S2/c1-18-8-9-19(2)24-23(18)28-26(34-24)30(17-21-7-3-4-14-27-21)25(31)20-10-12-22(13-11-20)35(32,33)29-15-5-6-16-29/h3-4,7-14H,5-6,15-17H2,1-2H3