(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-[4-[(phenethylamino)methyl]phenyl]methanone hydrochloride

Systemtic Name: (4-naphthalen-2-ylsulfonylpiperazin-1-yl)-[4-[(phenethylamino)methyl]phenyl]methanone hydrochloride Openeye Name: [4-(2-naphthylsulfonyl)piperazin-1-yl]-[4-[(phenethylamino)methyl]phenyl]methanone hydrochloride CAS Name: [4-(2-naphthalenylsulfonyl)-1-piperazinyl]-[4-[(phenethylamino)methyl]phenyl]methanone hydrochloride IUPAC Name: (4-naphthalen-2-ylsulfonylpiperazin-1-yl)-[4-[(phenethylamino)methyl]phenyl]methanone hydrochloride Traditional Name: [4-(2-naphthylsulfonyl)piperazino]-[4-[(phenethylamino)methyl]phenyl]methanone hydrochloride Formula: C30H32ClN3O3S MolecularWeight: 550.11138

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)CNCCC3=CC=CC=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4.Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)CNCCC3=CC=CC=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4.Cl

InChI

InChI=1S/C30H31N3O3S.ClH/c34-30(27-12-10-25(11-13-27)23-31-17-16-24-6-2-1-3-7-24)32-18-20-33(21-19-32)37(35,36)29-15-14-26-8-4-5-9-28(26)22-29;/h1-15,22,31H,16-21,23H2;1H