[4-[(4-bromophenyl)sulfonyl-(4-methoxy-3-piperazin-1-yl-phenyl)amino]-2-piperazin-1-yl-phenyl] carbamate

Systemtic Name: [4-[(4-bromophenyl)sulfonyl-(4-methoxy-3-piperazin-1-yl-phenyl)amino]-2-piperazin-1-yl-phenyl] carbamate Openeye Name: [4-(N-(4-bromophenyl)sulfonyl-4-methoxy-3-piperazin-1-yl-anilino)-2-piperazin-1-yl-phenyl] carbamate CAS Name: carbamic acid [4-[N-(4-bromophenyl)sulfonyl-4-methoxy-3-(1-piperazinyl)anilino]-2-(1-piperazinyl)phenyl] ester IUPAC Name: [4-(N-(4-bromophenyl)sulfonyl-4-methoxy-3-piperazin-1-ylanilino)-2-piperazin-1-ylphenyl] carbamate Traditional Name: carbamic acid [4-(N-brosyl-4-methoxy-3-piperazino-anilino)-2-piperazino-phenyl] ester Formula: C28H33BrN6O5S MolecularWeight: 645.56782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(C2=CC(=C(C=C2)OC(=O)N)N3CCNCC3)S(=O)(=O)C4=CC=C(C=C4)Br)N5CCNCC5

Isomeric SMILES

COC1=C(C=C(C=C1)N(C2=CC(=C(C=C2)OC(=O)N)N3CCNCC3)S(=O)(=O)C4=CC=C(C=C4)Br)N5CCNCC5

InChI

InChI=1S/C28H33BrN6O5S/c1-39-26-8-4-21(18-24(26)33-14-10-31-11-15-33)35(41(37,38)23-6-2-20(29)3-7-23)22-5-9-27(40-28(30)36)25(19-22)34-16-12-32-13-17-34/h2-9,18-19,31-32H,10-17H2,1H3,(H2,30,36)