2-[ethyl-(3-nitro-4-phenylazanyl-phenyl)sulfonyl-amino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[ethyl-(3-nitro-4-phenylazanyl-phenyl)sulfonyl-amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(4-anilino-3-nitro-phenyl)sulfonyl-ethyl-amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(4-anilino-3-nitrophenyl)sulfonyl-ethylamino]ethyl ester IUPAC Name: 2-[(4-anilino-3-nitrophenyl)sulfonyl-ethylamino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(4-anilino-3-nitro-phenyl)sulfonyl-ethyl-amino]ethyl ester Formula: C23H25N3O7S2 MolecularWeight: 519.5905

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCOS(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CCOS(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O7S2/c1-3-25(15-16-33-35(31,32)20-11-9-18(2)10-12-20)34(29,30)21-13-14-22(23(17-21)26(27)28)24-19-7-5-4-6-8-19/h4-14,17,24H,3,15-16H2,1-2H3