diethyl 3-[2-(4-carbamimidoylpiperazin-1-yl)ethoxy]-4-naphthalen-1-ylsulfonyloxy-1-phenyl-pyrrole-2,5-dicarboxylate

Systemtic Name: diethyl 3-[2-(4-carbamimidoylpiperazin-1-yl)ethoxy]-4-naphthalen-1-ylsulfonyloxy-1-phenyl-pyrrole-2,5-dicarboxylate Openeye Name: diethyl 3-[2-(4-carbamimidoylpiperazin-1-yl)ethoxy]-4-(1-naphthylsulfonyloxy)-1-phenyl-pyrrole-2,5-dicarboxylate CAS Name: 3-[2-(4-carbamimidoyl-1-piperazinyl)ethoxy]-4-(1-naphthalenylsulfonyloxy)-1-phenylpyrrole-2,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-[2-(4-carbamimidoylpiperazin-1-yl)ethoxy]-4-naphthalen-1-ylsulfonyloxy-1-phenylpyrrole-2,5-dicarboxylate Traditional Name: 3-[2-(4-amidinopiperazino)ethoxy]-4-(1-naphthylsulfonyloxy)-1-phenyl-pyrrole-2,5-dicarboxylic acid diethyl ester Formula: C33H37N5O8S MolecularWeight: 663.74058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C2=CC=CC=C2)C(=O)OCC)OS(=O)(=O)C3=CC=CC4=CC=CC=C43)OCCN5CCN(CC5)C(=N)N

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C2=CC=CC=C2)C(=O)OCC)OS(=O)(=O)C3=CC=CC4=CC=CC=C43)OCCN5CCN(CC5)C(=N)N

InChI

InChI=1S/C33H37N5O8S/c1-3-43-31(39)27-29(45-22-21-36-17-19-37(20-18-36)33(34)35)30(28(32(40)44-4-2)38(27)24-13-6-5-7-14-24)46-47(41,42)26-16-10-12-23-11-8-9-15-25(23)26/h5-16H,3-4,17-22H2,1-2H3,(H3,34,35)