5-[[4-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]-3-butyl-2-propyl-imidazole-4-carboxamide

Systemtic Name: 5-[[4-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]-3-butyl-2-propyl-imidazole-4-carboxamide Openeye Name: 5-[[4-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]-3-butyl-2-propyl-imidazole-4-carboxamide CAS Name: 5-[[4-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]-3-butyl-2-propyl-4-imidazolecarboxamide IUPAC Name: 5-[[4-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]-3-butyl-2-propylimidazole-4-carboxamide Traditional Name: 5-[[4-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]-3-butyl-2-propyl-imidazole-4-carboxamide Formula: C21H31Cl2N5O3S MolecularWeight: 504.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=C1C(=O)N)NS(=O)(=O)C2=CC=C(C=C2)N(CCCl)CCCl)CCC

Isomeric SMILES

CCCCN1C(=NC(=C1C(=O)N)NS(=O)(=O)C2=CC=C(C=C2)N(CCCl)CCCl)CCC

InChI

InChI=1S/C21H31Cl2N5O3S/c1-3-5-13-28-18(6-4-2)25-21(19(28)20(24)29)26-32(30,31)17-9-7-16(8-10-17)27(14-11-22)15-12-23/h7-10,26H,3-6,11-15H2,1-2H3,(H2,24,29)