5-chloranyl-N-(2-diethylaminoethyl)-N,2-dimethyl-3-phenyl-isoindole-1-carboxamide; cyclohexylsulfamic acid

Systemtic Name: 5-chloranyl-N-(2-diethylaminoethyl)-N,2-dimethyl-3-phenyl-isoindole-1-carboxamide; cyclohexylsulfamic acid Openeye Name: 5-chloro-N-(2-diethylaminoethyl)-N,2-dimethyl-3-phenyl-isoindole-1-carboxamide; cyclohexylsulfamic acid CAS Name: 5-chloro-N-(2-diethylaminoethyl)-N,2-dimethyl-3-phenyl-1-isoindolecarboxamide; cyclohexylsulfamic acid IUPAC Name: 5-chloro-N-(2-diethylaminoethyl)-N,2-dimethyl-3-phenylisoindole-1-carboxamide; cyclohexylsulfamic acid Traditional Name: 5-chloro-N-(2-diethylaminoethyl)-N,2-dimethyl-3-phenyl-isoindole-1-carboxamide; cyclohexylsulfamic acid Formula: C29H41ClN4O4S MolecularWeight: 577.17824

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C)C(=O)C1=C2C=CC(=CC2=C(N1C)C3=CC=CC=C3)Cl.C1CCC(CC1)NS(=O)(=O)O

Isomeric SMILES

CCN(CC)CCN(C)C(=O)C1=C2C=CC(=CC2=C(N1C)C3=CC=CC=C3)Cl.C1CCC(CC1)NS(=O)(=O)O

InChI

InChI=1S/C23H28ClN3O.C6H13NO3S/c1-5-27(6-2)15-14-25(3)23(28)22-19-13-12-18(24)16-20(19)21(26(22)4)17-10-8-7-9-11-17;8-11(9,10)7-6-4-2-1-3-5-6/h7-13,16H,5-6,14-15H2,1-4H3;6-7H,1-5H2,(H,8,9,10)