[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-phenyl]methanone

Systemtic Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-phenyl]methanone Openeye Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[4-methoxy-3-[(2-methyl-1-piperidyl)sulfonyl]phenyl]methanone CAS Name: [2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-[4-methoxy-3-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]methanone IUPAC Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone Traditional Name: [2-(1,3-benzothiazol-2-yl)pyrrolidino]-[4-methoxy-3-(2-methylpiperidino)sulfonyl-phenyl]methanone Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC3C4=NC5=CC=CC=C5S4)OC

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC3C4=NC5=CC=CC=C5S4)OC

InChI

InChI=1S/C25H29N3O4S2/c1-17-8-5-6-15-28(17)34(30,31)23-16-18(12-13-21(23)32-2)25(29)27-14-7-10-20(27)24-26-19-9-3-4-11-22(19)33-24/h3-4,9,11-13,16-17,20H,5-8,10,14-15H2,1-2H3