[2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-(4-phenylpiperazin-1-yl)phenyl]-piperidin-1-yl-methanone

Systemtic Name: [2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-(4-phenylpiperazin-1-yl)phenyl]-piperidin-1-yl-methanone Openeye Name: [2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-(4-phenylpiperazin-1-yl)phenyl]-(1-piperidyl)methanone CAS Name: [2-(4-methyl-1-piperazinyl)-5-methylsulfonyl-4-(4-phenyl-1-piperazinyl)phenyl]-(1-piperidinyl)methanone IUPAC Name: [2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-(4-phenylpiperazin-1-yl)phenyl]-piperidin-1-ylmethanone Traditional Name: [5-mesyl-2-(4-methylpiperazino)-4-(4-phenylpiperazino)phenyl]-piperidino-methanone Formula: C28H39N5O3S MolecularWeight: 525.70596

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=C(C=C2C(=O)N3CCCCC3)S(=O)(=O)C)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C(C=C2C(=O)N3CCCCC3)S(=O)(=O)C)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H39N5O3S/c1-29-13-15-31(16-14-29)25-22-26(32-19-17-30(18-20-32)23-9-5-3-6-10-23)27(37(2,35)36)21-24(25)28(34)33-11-7-4-8-12-33/h3,5-6,9-10,21-22H,4,7-8,11-20H2,1-2H3