1-(2-naphthalen-1-ylethylsulfonyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-(2-naphthalen-1-ylethylsulfonyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane Openeye Name: 1-[2-(1-naphthyl)ethylsulfonyl]-4-(3-thienylmethyl)-1,4-diazepane CAS Name: 1-[2-(1-naphthalenyl)ethylsulfonyl]-4-(3-thiophenylmethyl)-1,4-diazepane IUPAC Name: 1-(2-naphthalen-1-ylethylsulfonyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane Traditional Name: 1-[2-(1-naphthyl)ethylsulfonyl]-4-(3-thenyl)-1,4-diazepane Formula: C22H26N2O2S2 MolecularWeight: 414.58404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)CCC2=CC=CC3=CC=CC=C32)CC4=CSC=C4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)CCC2=CC=CC3=CC=CC=C32)CC4=CSC=C4

InChI

InChI=1S/C22H26N2O2S2/c25-28(26,16-10-21-7-3-6-20-5-1-2-8-22(20)21)24-12-4-11-23(13-14-24)17-19-9-15-27-18-19/h1-3,5-9,15,18H,4,10-14,16-17H2