2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-chloro-2-methoxy-5-methyl-anilino)propan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(4-chloro-2-methoxy-5-methylanilino)-1-propanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-chloro-2-methoxy-5-methylanilino)propan-1-one Traditional Name: 1-(4-besylpiperazino)-2-(4-chloro-2-methoxy-5-methyl-anilino)propan-1-one Formula: C21H26ClN3O4S MolecularWeight: 451.96684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26ClN3O4S/c1-15-13-19(20(29-3)14-18(15)22)23-16(2)21(26)24-9-11-25(12-10-24)30(27,28)17-7-5-4-6-8-17/h4-8,13-14,16,23H,9-12H2,1-3H3