N-[5-(1,4-diazepan-1-yl)-2-[ethyl(phenylsulfonyl)amino]phenyl]benzenesulfonamide

Systemtic Name: N-[5-(1,4-diazepan-1-yl)-2-[ethyl(phenylsulfonyl)amino]phenyl]benzenesulfonamide Openeye Name: N-[2-[benzenesulfonyl(ethyl)amino]-5-(1,4-diazepan-1-yl)phenyl]benzenesulfonamide CAS Name: N-[2-[benzenesulfonyl(ethyl)amino]-5-(1,4-diazepan-1-yl)phenyl]benzenesulfonamide IUPAC Name: N-[2-[benzenesulfonyl(ethyl)amino]-5-(1,4-diazepan-1-yl)phenyl]benzenesulfonamide Traditional Name: N-[2-[besyl(ethyl)amino]-5-(1,4-diazepan-1-yl)phenyl]benzenesulfonamide Formula: C25H30N4O4S2 MolecularWeight: 514.6601

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=C(C=C1)N2CCCNCC2)NS(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCN(C1=C(C=C(C=C1)N2CCCNCC2)NS(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O4S2/c1-2-29(35(32,33)23-12-7-4-8-13-23)25-15-14-21(28-18-9-16-26-17-19-28)20-24(25)27-34(30,31)22-10-5-3-6-11-22/h3-8,10-15,20,26-27H,2,9,16-19H2,1H3