[3-[(5-ethynyl-1H-indol-2-yl)sulfonyl]-1-(6-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazin-2-ylidene]methanone

Systemtic Name: [3-[(5-ethynyl-1H-indol-2-yl)sulfonyl]-1-(6-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazin-2-ylidene]methanone Openeye Name: [3-[(5-ethynyl-1H-indol-2-yl)sulfonyl]-1-(6-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazin-2-ylidene]methanone CAS Name: [3-[(5-ethynyl-1H-indol-2-yl)sulfonyl]-1-[6-(1-pyrrolidinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-piperazinylidene]methanone IUPAC Name: [3-[(5-ethynyl-1H-indol-2-yl)sulfonyl]-1-(6-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazin-2-ylidene]methanone Traditional Name: [3-[(5-ethynyl-1H-indol-2-yl)sulfonyl]-1-(6-pyrrolidino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazin-2-ylidene]methanone Formula: C26H27N5O3S2 MolecularWeight: 521.65428

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(C=C1)NC(=C2)S(=O)(=O)C3C(=C=O)N(CCN3)C4=NC5=C(S4)CC(CC5)N6CCCC6

Isomeric SMILES

C#CC1=CC2=C(C=C1)NC(=C2)S(=O)(=O)C3C(=C=O)N(CCN3)C4=NC5=C(S4)CC(CC5)N6CCCC6

InChI

InChI=1S/C26H27N5O3S2/c1-2-17-5-7-20-18(13-17)14-24(28-20)36(33,34)25-22(16-32)31(12-9-27-25)26-29-21-8-6-19(15-23(21)35-26)30-10-3-4-11-30/h1,5,7,13-14,19,25,27-28H,3-4,6,8-12,15H2