methyl 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-(4-phenylpiperazin-1-yl)hex-4-ynoate

Systemtic Name: methyl 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-(4-phenylpiperazin-1-yl)hex-4-ynoate Openeye Name: methyl 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-(4-phenylpiperazin-1-yl)hex-4-ynoate CAS Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-(4-phenyl-1-piperazinyl)-4-hexynoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-(4-phenylpiperazin-1-yl)hex-4-ynoate Traditional Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-(4-phenylpiperazino)hex-4-ynoic acid methyl ester Formula: C30H33N3O5S MolecularWeight: 547.66512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC#CCN3CCN(CC3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC#CCN3CCN(CC3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C30H33N3O5S/c1-37-27-15-11-24(12-16-27)25-13-17-28(18-14-25)39(35,36)31-29(30(34)38-2)10-6-7-19-32-20-22-33(23-21-32)26-8-4-3-5-9-26/h3-5,8-9,11-18,29,31H,10,19-23H2,1-2H3