[2-[cyclopropylmethyl(propyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-[cyclopropylmethyl(propyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: [2-[cyclopropylmethyl(propyl)amino]-2-oxo-ethyl] 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid [2-[cyclopropylmethyl(propyl)amino]-2-keto-ethyl] ester Formula: C26H32ClN3O5S MolecularWeight: 534.06738

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1CC1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCCN(CC1CC1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C26H32ClN3O5S/c1-2-12-29(18-20-8-9-20)25(31)19-35-26(32)23-17-22(10-11-24(23)27)36(33,34)30-15-13-28(14-16-30)21-6-4-3-5-7-21/h3-7,10-11,17,20H,2,8-9,12-16,18-19H2,1H3