N-[1-[(3-azanyl-2-oxidanyl-propyl)amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[1-[(3-azanyl-2-oxidanyl-propyl)amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[2-[(3-amino-2-hydroxy-propyl)amino]-1-(2-naphthylmethyl)-2-oxo-ethyl]-1-(benzenesulfonyl)piperidine-4-carboxamide CAS Name: N-[1-[(3-amino-2-hydroxypropyl)amino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]-1-(benzenesulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(benzenesulfonyl)piperidine-4-carboxamide Traditional Name: N-[2-[(3-amino-2-hydroxy-propyl)amino]-2-keto-1-(2-naphthylmethyl)ethyl]-1-besyl-isonipecotamide Formula: C28H34N4O5S MolecularWeight: 538.65836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NCC(CN)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NCC(CN)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H34N4O5S/c29-18-24(33)19-30-28(35)26(17-20-10-11-21-6-4-5-7-23(21)16-20)31-27(34)22-12-14-32(15-13-22)38(36,37)25-8-2-1-3-9-25/h1-11,16,22,24,26,33H,12-15,17-19,29H2,(H,30,35)(H,31,34)