N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-4-methoxy-3-methyl-benzenesulfonamide

Systemtic Name: N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-4-methoxy-3-methyl-benzenesulfonamide Openeye Name: N-[(2S)-2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-methoxy-3-methyl-benzenesulfonamide CAS Name: N-[(2S)-2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide IUPAC Name: N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methoxy-3-methylbenzenesulfonamide Traditional Name: N-[(2S)-2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-methoxy-3-methyl-benzenesulfonamide Formula: C20H28N2O3S2 MolecularWeight: 408.57792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC[C@H](C2=CSC=C2)N3CCCCCC3)OC

InChI

InChI=1S/C20H28N2O3S2/c1-16-13-18(7-8-20(16)25-2)27(23,24)21-14-19(17-9-12-26-15-17)22-10-5-3-4-6-11-22/h7-9,12-13,15,19,21H,3-6,10-11,14H2,1-2H3/t19-/m1/s1