N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-1-quinolin-8-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-1-quinolin-8-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(8-quinolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-1-(8-quinolinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(4-benzylpiperazino)propyl]-1-(8-quinolylsulfonyl)isonipecotamide Formula: C29H37N5O3S MolecularWeight: 535.70078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCCN2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NCCCN2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C29H37N5O3S/c35-29(31-15-6-16-32-19-21-33(22-20-32)23-24-7-2-1-3-8-24)26-12-17-34(18-13-26)38(36,37)27-11-4-9-25-10-5-14-30-28(25)27/h1-5,7-11,14,26H,6,12-13,15-23H2,(H,31,35)