N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-(1-piperidylsulfonyl)-2-pyrrolidin-1-yl-benzamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-piperidinosulfonyl-2-pyrrolidino-benzamide Formula: C25H30N4O3S2 MolecularWeight: 498.6607

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)N5CCCC5

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)N5CCCC5

InChI

InChI=1S/C25H30N4O3S2/c1-27(18-24-26-21-9-3-4-10-23(21)33-24)25(30)20-17-19(11-12-22(20)28-13-7-8-14-28)34(31,32)29-15-5-2-6-16-29/h3-4,9-12,17H,2,5-8,13-16,18H2,1H3