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

Systemtic Name: N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-4-pyrrolidinosulfonyl-benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H23N3O3S2/c1-14(2)17-6-5-7-18-19(17)22-21(28-18)23-20(25)15-8-10-16(11-9-15)29(26,27)24-12-3-4-13-24/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,23,25)