1-[(2S)-1-(3-butyl-4-naphthalen-2-ylsulfonyl-piperazin-1-yl)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-3-(phenylmethyl)urea

Systemtic Name: 1-[(2S)-1-(3-butyl-4-naphthalen-2-ylsulfonyl-piperazin-1-yl)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[(1S)-2-[3-butyl-4-(2-naphthylsulfonyl)piperazin-1-yl]-1-(2-naphthylmethyl)-2-oxo-ethyl]urea CAS Name: 1-[(2S)-1-[3-butyl-4-(2-naphthalenylsulfonyl)-1-piperazinyl]-3-(2-naphthalenyl)-1-oxopropan-2-yl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[(2S)-1-(3-butyl-4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-naphthalen-2-yl-1-oxopropan-2-yl]urea Traditional Name: 1-benzyl-3-[(1S)-2-[3-butyl-4-(2-naphthylsulfonyl)piperazino]-2-keto-1-(2-naphthylmethyl)ethyl]urea Formula: C39H42N4O4S MolecularWeight: 662.84018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)NCC6=CC=CC=C6

Isomeric SMILES

CCCCC1CN(CCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)[C@H](CC4=CC5=CC=CC=C5C=C4)NC(=O)NCC6=CC=CC=C6

InChI

InChI=1S/C39H42N4O4S/c1-2-3-17-35-28-42(22-23-43(35)48(46,47)36-21-20-32-14-8-10-16-34(32)26-36)38(44)37(41-39(45)40-27-29-11-5-4-6-12-29)25-30-18-19-31-13-7-9-15-33(31)24-30/h4-16,18-21,24,26,35,37H,2-3,17,22-23,25,27-28H2,1H3,(H2,40,41,45)/t35?,37-/m0/s1