1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-3-(4-pyrrolidinosulfonylphenyl)propan-1-one Formula: C25H30N4O3S2 MolecularWeight: 498.6607

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H30N4O3S2/c30-25(12-9-20-7-10-21(11-8-20)34(31,32)29-13-3-4-14-29)28-17-15-27(16-18-28)19-24-26-22-5-1-2-6-23(22)33-24/h1-2,5-8,10-11H,3-4,9,12-19H2