(4-phenylpiperazin-1-yl)-[1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidin-3-yl]methanone

Systemtic Name: (4-phenylpiperazin-1-yl)-[1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidin-3-yl]methanone Openeye Name: [1-(1-isopropylbenzotriazol-5-yl)sulfonyl-3-piperidyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: (4-phenyl-1-piperazinyl)-[1-[(1-propan-2-yl-5-benzotriazolyl)sulfonyl]-3-piperidinyl]methanone IUPAC Name: (4-phenylpiperazin-1-yl)-[1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidin-3-yl]methanone Traditional Name: [1-(1-isopropylbenzotriazol-5-yl)sulfonyl-3-piperidyl]-(4-phenylpiperazino)methanone Formula: C25H32N6O3S MolecularWeight: 496.62498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)N=N1

Isomeric SMILES

CC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)N=N1

InChI

InChI=1S/C25H32N6O3S/c1-19(2)31-24-11-10-22(17-23(24)26-27-31)35(33,34)30-12-6-7-20(18-30)25(32)29-15-13-28(14-16-29)21-8-4-3-5-9-21/h3-5,8-11,17,19-20H,6-7,12-16,18H2,1-2H3