2-azanyl-3-[6-chloranyl-7-methoxy-1-(phenylsulfonyl)indazol-4-yl]-N-(4-phenylbutyl)propanamide hydrochloride

Systemtic Name: 2-azanyl-3-[6-chloranyl-7-methoxy-1-(phenylsulfonyl)indazol-4-yl]-N-(4-phenylbutyl)propanamide hydrochloride Openeye Name: 2-amino-3-[1-(benzenesulfonyl)-6-chloro-7-methoxy-indazol-4-yl]-N-(4-phenylbutyl)propanamide hydrochloride CAS Name: 2-amino-3-[1-(benzenesulfonyl)-6-chloro-7-methoxy-4-indazolyl]-N-(4-phenylbutyl)propanamide hydrochloride IUPAC Name: 2-amino-3-[1-(benzenesulfonyl)-6-chloro-7-methoxyindazol-4-yl]-N-(4-phenylbutyl)propanamide hydrochloride Traditional Name: 2-amino-3-(1-besyl-6-chloro-7-methoxy-indazol-4-yl)-N-(4-phenylbutyl)propionamide hydrochloride Formula: C27H30Cl2N4O4S MolecularWeight: 577.5225

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C2=C1N(N=C2)S(=O)(=O)C3=CC=CC=C3)CC(C(=O)NCCCCC4=CC=CC=C4)N)Cl.Cl

Isomeric SMILES

COC1=C(C=C(C2=C1N(N=C2)S(=O)(=O)C3=CC=CC=C3)CC(C(=O)NCCCCC4=CC=CC=C4)N)Cl.Cl

InChI

InChI=1S/C27H29ClN4O4S.ClH/c1-36-26-23(28)16-20(17-24(29)27(33)30-15-9-8-12-19-10-4-2-5-11-19)22-18-31-32(25(22)26)37(34,35)21-13-6-3-7-14-21;/h2-7,10-11,13-14,16,18,24H,8-9,12,15,17,29H2,1H3,(H,30,33);1H