[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(3-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]azepin-9-yl)methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(3-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]azepin-9-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-(3-phenyl-5,6,7,8-tetrahydrothiazolo[3,2-a]azepin-9-yl)methanone CAS Name: [3-(1-azepanylsulfonyl)-4-chlorophenyl]-(3-phenyl-5,6,7,8-tetrahydrothiazolo[3,2-a]azepin-9-yl)methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(3-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]azepin-9-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-(3-phenyl-5,6,7,8-tetrahydrothiazol[3,2-a]azepin-9-yl)methanone Formula: C27H29ClN2O3S2 MolecularWeight: 529.11376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)C3=C4N(CCCC3)C(=CS4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)C3=C4N(CCCC3)C(=CS4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C27H29ClN2O3S2/c28-23-14-13-21(18-25(23)35(32,33)29-15-7-1-2-8-16-29)26(31)22-12-6-9-17-30-24(19-34-27(22)30)20-10-4-3-5-11-20/h3-5,10-11,13-14,18-19H,1-2,6-9,12,15-17H2