3-azanyl-N-[1,1-bis(2-chloroethylsulfonyl)propyl]benzamide

Systemtic Name: 3-azanyl-N-[1,1-bis(2-chloroethylsulfonyl)propyl]benzamide Openeye Name: 3-amino-N-[1,1-bis(2-chloroethylsulfonyl)propyl]benzamide CAS Name: 3-amino-N-[1,1-bis(2-chloroethylsulfonyl)propyl]benzamide IUPAC Name: 3-amino-N-[1,1-bis(2-chloroethylsulfonyl)propyl]benzamide Traditional Name: 3-amino-N-[1,1-bis(2-chloroethylsulfonyl)propyl]benzamide Formula: C14H20Cl2N2O5S2 MolecularWeight: 431.355

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)C1=CC(=CC=C1)N)(S(=O)(=O)CCCl)S(=O)(=O)CCCl

Isomeric SMILES

CCC(NC(=O)C1=CC(=CC=C1)N)(S(=O)(=O)CCCl)S(=O)(=O)CCCl

InChI

InChI=1S/C14H20Cl2N2O5S2/c1-2-14(24(20,21)8-6-15,25(22,23)9-7-16)18-13(19)11-4-3-5-12(17)10-11/h3-5,10H,2,6-9,17H2,1H3,(H,18,19)