N-[2-(diethylamino)-5-morpholin-4-ylsulfonyl-phenyl]-1-ethyl-benzotriazole-5-carboxamide

Systemtic Name: N-[2-(diethylamino)-5-morpholin-4-ylsulfonyl-phenyl]-1-ethyl-benzotriazole-5-carboxamide Openeye Name: N-[2-(diethylamino)-5-morpholinosulfonyl-phenyl]-1-ethyl-benzotriazole-5-carboxamide CAS Name: N-[2-(diethylamino)-5-(4-morpholinylsulfonyl)phenyl]-1-ethyl-5-benzotriazolecarboxamide IUPAC Name: N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-1-ethylbenzotriazole-5-carboxamide Traditional Name: N-[2-(diethylamino)-5-morpholinosulfonyl-phenyl]-1-ethyl-benzotriazole-5-carboxamide Formula: C23H30N6O4S MolecularWeight: 486.5871

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N(CC)CC)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N(CC)CC)N=N1

InChI

InChI=1S/C23H30N6O4S/c1-4-27(5-2)21-10-8-18(34(31,32)28-11-13-33-14-12-28)16-19(21)24-23(30)17-7-9-22-20(15-17)25-26-29(22)6-3/h7-10,15-16H,4-6,11-14H2,1-3H3,(H,24,30)