N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-1-quinolin-8-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-1-quinolin-8-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-(8-quinolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-1-(8-quinolinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(4-benzylpiperazino)ethyl]-1-(8-quinolylsulfonyl)isonipecotamide Formula: C28H35N5O3S MolecularWeight: 521.6742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCN2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NCCN2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C28H35N5O3S/c34-28(30-14-17-31-18-20-32(21-19-31)22-23-6-2-1-3-7-23)25-11-15-33(16-12-25)37(35,36)26-10-4-8-24-9-5-13-29-27(24)26/h1-10,13,25H,11-12,14-22H2,(H,30,34)