3-[(2S)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]benzenecarboximidamide

Systemtic Name: 3-[(2S)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]benzenecarboximidamide Openeye Name: 3-[(2S)-2-(2-naphthylsulfonylamino)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamidine CAS Name: 3-[(2S)-2-(2-naphthalenylsulfonylamino)-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]benzenecarboximidamide IUPAC Name: 3-[(2S)-2-(naphthalen-2-ylsulfonylamino)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenecarboximidamide Traditional Name: 3-[(2S)-3-keto-2-(2-naphthylsulfonylamino)-3-(4-phenylpiperazino)propyl]benzamidine Formula: C30H31N5O3S MolecularWeight: 541.66384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C(CC3=CC=CC(=C3)C(=N)N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)[C@H](CC3=CC=CC(=C3)C(=N)N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C30H31N5O3S/c31-29(32)25-10-6-7-22(19-25)20-28(30(36)35-17-15-34(16-18-35)26-11-2-1-3-12-26)33-39(37,38)27-14-13-23-8-4-5-9-24(23)21-27/h1-14,19,21,28,33H,15-18,20H2,(H3,31,32)/t28-/m0/s1