ethyl 2-[4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]carbonyl-2-nitro-phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]carbonyl-2-nitro-phenyl]sulfanylethanoate Openeye Name: ethyl 2-[4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazine-1-carbonyl]-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[4-[[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-oxomethyl]-2-nitrophenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[4-[(4-chlorophenyl)-phenylmethyl]piperazine-1-carbonyl]-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazine-1-carbonyl]-2-nitro-phenyl]thio]acetic acid ethyl ester Formula: C28H28ClN3O5S MolecularWeight: 554.05702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C28H28ClN3O5S/c1-2-37-26(33)19-38-25-13-10-22(18-24(25)32(35)36)28(34)31-16-14-30(15-17-31)27(20-6-4-3-5-7-20)21-8-11-23(29)12-9-21/h3-13,18,27H,2,14-17,19H2,1H3