[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl] N-(4-carbamimidoylphenyl)carbamate

Systemtic Name: [4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl] N-(4-carbamimidoylphenyl)carbamate Openeye Name: [4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl] N-(4-carbamimidoylphenyl)carbamate CAS Name: N-(4-carbamimidoylphenyl)carbamic acid [4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl] ester IUPAC Name: [4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl] N-(4-carbamimidoylphenyl)carbamate Traditional Name: N-(4-amidinophenyl)carbamic acid (4-mesitylsulfonylpiperazino) ester Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)OC(=O)NC3=CC=C(C=C3)C(=N)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)OC(=O)NC3=CC=C(C=C3)C(=N)N)C

InChI

InChI=1S/C21H27N5O4S/c1-14-12-15(2)19(16(3)13-14)31(28,29)26-10-8-25(9-11-26)30-21(27)24-18-6-4-17(5-7-18)20(22)23/h4-7,12-13H,8-11H2,1-3H3,(H3,22,23)(H,24,27)