4-[[3-[2-chloroethyl(ethyl)amino]phenyl]carbamoyl]benzenesulfinic acid

Systemtic Name: 4-[[3-[2-chloroethyl(ethyl)amino]phenyl]carbamoyl]benzenesulfinic acid Openeye Name: 4-[[3-[2-chloroethyl(ethyl)amino]phenyl]carbamoyl]benzenesulfinic acid CAS Name: 4-[[3-[2-chloroethyl(ethyl)amino]anilino]-oxomethyl]benzenesulfinic acid IUPAC Name: 4-[[3-[2-chloroethyl(ethyl)amino]phenyl]carbamoyl]benzenesulfinic acid Traditional Name: 4-[[3-[2-chloroethyl(ethyl)amino]phenyl]carbamoyl]benzenesulfinic acid Formula: C17H19ClN2O3S MolecularWeight: 366.86236

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCl)C1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)O

Isomeric SMILES

CCN(CCCl)C1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)O

InChI

InChI=1S/C17H19ClN2O3S/c1-2-20(11-10-18)15-5-3-4-14(12-15)19-17(21)13-6-8-16(9-7-13)24(22)23/h3-9,12H,2,10-11H2,1H3,(H,19,21)(H,22,23)