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

Systemtic Name: 3-[(2S)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenecarboximidamide Openeye Name: 3-[(2S)-2-(2-naphthylsulfonylamino)-3-oxo-3-[4-(1-piperidyl)-1-piperidyl]propyl]benzamidine CAS Name: 3-[(2S)-2-(2-naphthalenylsulfonylamino)-3-oxo-3-[4-(1-piperidinyl)-1-piperidinyl]propyl]benzenecarboximidamide IUPAC Name: 3-[(2S)-2-(naphthalen-2-ylsulfonylamino)-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenecarboximidamide Traditional Name: 3-[(2S)-3-keto-2-(2-naphthylsulfonylamino)-3-(4-piperidinopiperidino)propyl]benzamidine Formula: C30H37N5O3S MolecularWeight: 547.71148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)C(=O)C(CC3=CC=CC(=C3)C(=N)N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)C(=O)[C@H](CC3=CC=CC(=C3)C(=N)N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C30H37N5O3S/c31-29(32)25-10-6-7-22(19-25)20-28(30(36)35-17-13-26(14-18-35)34-15-4-1-5-16-34)33-39(37,38)27-12-11-23-8-2-3-9-24(23)21-27/h2-3,6-12,19,21,26,28,33H,1,4-5,13-18,20H2,(H3,31,32)/t28-/m0/s1