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

Systemtic Name: [2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-(4-phenylbutylamino)phenyl]-piperidin-1-yl-methanone Openeye Name: [2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-(4-phenylbutylamino)phenyl]-(1-piperidyl)methanone CAS Name: [2-(4-methyl-1-piperazinyl)-5-methylsulfonyl-4-(4-phenylbutylamino)phenyl]-(1-piperidinyl)methanone IUPAC Name: [2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-(4-phenylbutylamino)phenyl]-piperidin-1-ylmethanone Traditional Name: [5-mesyl-2-(4-methylpiperazino)-4-(4-phenylbutylamino)phenyl]-piperidino-methanone Formula: C28H40N4O3S MolecularWeight: 512.7072

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=C(C=C2C(=O)N3CCCCC3)S(=O)(=O)C)NCCCCC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C(C=C2C(=O)N3CCCCC3)S(=O)(=O)C)NCCCCC4=CC=CC=C4

InChI

InChI=1S/C28H40N4O3S/c1-30-17-19-31(20-18-30)26-22-25(29-14-8-7-13-23-11-5-3-6-12-23)27(36(2,34)35)21-24(26)28(33)32-15-9-4-10-16-32/h3,5-6,11-12,21-22,29H,4,7-10,13-20H2,1-2H3