2-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]methyl]-N,N-dimethyl-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide Formula: C25H31N5O2S2 MolecularWeight: 497.67594

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CN3CCCC(C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CN3CCC[C@@H](C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H31N5O2S2/c1-4-13-30-22-12-11-19(34(31,32)28(2)3)15-21(22)26-24(30)17-29-14-7-8-18(16-29)25-27-20-9-5-6-10-23(20)33-25/h5-6,9-12,15,18H,4,7-8,13-14,16-17H2,1-3H3/t18-/m0/s1