2-azanyl-5-[bis[2-(2-chloroethylsulfonyl)ethyl]carbamoyl]benzenesulfonic acid

Systemtic Name: 2-azanyl-5-[bis[2-(2-chloroethylsulfonyl)ethyl]carbamoyl]benzenesulfonic acid Openeye Name: 2-amino-5-[bis[2-(2-chloroethylsulfonyl)ethyl]carbamoyl]benzenesulfonic acid CAS Name: 2-amino-5-[[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-amino-5-[bis[2-(2-chloroethylsulfonyl)ethyl]carbamoyl]benzenesulfonic acid Traditional Name: 2-amino-5-[bis[2-(2-chloroethylsulfonyl)ethyl]carbamoyl]besylic acid Formula: C15H22Cl2N2O8S3 MolecularWeight: 525.44478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N(CCS(=O)(=O)CCCl)CCS(=O)(=O)CCCl)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N(CCS(=O)(=O)CCCl)CCS(=O)(=O)CCCl)S(=O)(=O)O)N

InChI

InChI=1S/C15H22Cl2N2O8S3/c16-3-7-28(21,22)9-5-19(6-10-29(23,24)8-4-17)15(20)12-1-2-13(18)14(11-12)30(25,26)27/h1-2,11H,3-10,18H2,(H,25,26,27)