4-azanyl-N-[3-[bis(2-chloroethyl)aminomethyl]-4-ethoxy-phenyl]benzenesulfonamide

Systemtic Name: 4-azanyl-N-[3-[bis(2-chloroethyl)aminomethyl]-4-ethoxy-phenyl]benzenesulfonamide Openeye Name: 4-amino-N-[3-[bis(2-chloroethyl)aminomethyl]-4-ethoxy-phenyl]benzenesulfonamide CAS Name: 4-amino-N-[3-[bis(2-chloroethyl)aminomethyl]-4-ethoxyphenyl]benzenesulfonamide IUPAC Name: 4-amino-N-[3-[bis(2-chloroethyl)aminomethyl]-4-ethoxyphenyl]benzenesulfonamide Traditional Name: 4-amino-N-[3-[bis(2-chloroethyl)aminomethyl]-4-ethoxy-phenyl]benzenesulfonamide Formula: C19H25Cl2N3O3S MolecularWeight: 446.3911

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N)CN(CCCl)CCCl

Isomeric SMILES

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N)CN(CCCl)CCCl

InChI

InChI=1S/C19H25Cl2N3O3S/c1-2-27-19-8-5-17(13-15(19)14-24(11-9-20)12-10-21)23-28(25,26)18-6-3-16(22)4-7-18/h3-8,13,23H,2,9-12,14,22H2,1H3