1-(3-butyl-4-naphthalen-2-ylsulfonyl-piperazin-1-yl)-2-(naphthalen-2-ylamino)propan-1-one hydrobromide

Systemtic Name: 1-(3-butyl-4-naphthalen-2-ylsulfonyl-piperazin-1-yl)-2-(naphthalen-2-ylamino)propan-1-one hydrobromide Openeye Name: 1-[3-butyl-4-(2-naphthylsulfonyl)piperazin-1-yl]-2-(2-naphthylamino)propan-1-one hydrobromide CAS Name: 1-[3-butyl-4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-(2-naphthalenylamino)-1-propanone hydrobromide IUPAC Name: 1-(3-butyl-4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(naphthalen-2-ylamino)propan-1-one hydrobromide Traditional Name: 1-[3-butyl-4-(2-naphthylsulfonyl)piperazino]-2-(2-naphthylamino)propan-1-one hydrobromide Formula: C31H36BrN3O3S MolecularWeight: 610.60484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)C(C)NC4=CC5=CC=CC=C5C=C4.Br

Isomeric SMILES

CCCCC1CN(CCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)C(C)NC4=CC5=CC=CC=C5C=C4.Br

InChI

InChI=1S/C31H35N3O3S.BrH/c1-3-4-13-29-22-33(31(35)23(2)32-28-16-14-24-9-5-7-11-26(24)20-28)18-19-34(29)38(36,37)30-17-15-25-10-6-8-12-27(25)21-30;/h5-12,14-17,20-21,23,29,32H,3-4,13,18-19,22H2,1-2H3;1H