2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(4-methyl-3-morpholinosulfonyl-anilino)propan-1-one CAS Name: 2-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)propan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-(4-methyl-3-morpholinosulfonyl-anilino)propan-1-one Formula: C25H34N4O4S MolecularWeight: 486.62686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C25H34N4O4S/c1-20-8-9-23(18-24(20)34(31,32)29-14-16-33-17-15-29)26-21(2)25(30)28-12-10-27(11-13-28)19-22-6-4-3-5-7-22/h3-9,18,21,26H,10-17,19H2,1-2H3