1-(azepan-1-ylsulfonyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide

Systemtic Name: 1-(azepan-1-ylsulfonyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide Openeye Name: 1-(azepan-1-ylsulfonyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide CAS Name: 1-(1-azepanylsulfonyl)-N-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-3-piperidinecarboxamide IUPAC Name: 1-(azepan-1-ylsulfonyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide Traditional Name: 1-(azepan-1-ylsulfonyl)-N-[3-[4-(4-fluorophenyl)piperazino]propyl]nipecotamide Formula: C25H40FN5O3S MolecularWeight: 509.680203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCCCN3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCCCN3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H40FN5O3S/c26-23-8-10-24(11-9-23)29-19-17-28(18-20-29)13-6-12-27-25(32)22-7-5-16-31(21-22)35(33,34)30-14-3-1-2-4-15-30/h8-11,22H,1-7,12-21H2,(H,27,32)